Hexafluorides atomic-number dependence

The Atomic-number dependence of the relativistic effects on chemical bonding has been studied using the difference (APb) in the bond overlap populations between the relativistic and nonrelativistic DV-Xa calculations for various XH diatomic hydrides (X=Cu, Ag, and Au) and XFe hexafluorides (X=S, Se, Mo, Ru, Rh, Te, W, Re, Os, Ir, Pt, U, Np, and Pu). The atomic-number dependence of APb suggests that the absolute values of APb roughly increase with order (aZ)2 for Z up to about 80, and the higher order term (aZ) should be... 

FIG.l. The atomic-number dependence of the relativistic effects on chemical bonding for the hexafluoride molecules. 

It was found from Fig. 2 that the atomic-number dependence of APb for actinide hexafluorides was not well explained by the Z -dependence. This is because the higher-order correction (aZ)" is necessary to he considered in... 

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